torch==2.7.1
torchvision==0.22.1
torchaudio==2.7.1
cuequivariance-ops-torch-cu12==0.8.0
cuequivariance-torch==0.8.0
scipy>=1.9.0
ml_collections==1.1.0
tqdm==4.67.1
pandas==2.3.1
PyYAML==6.0.2
matplotlib==3.10.5
ipywidgets==8.1.7
py3Dmol==2.5.2
rdkit==2025.9.3
biopython==1.85
biotite==1.4.0
modelcif==1.4
gemmi==0.6.7
pdbeccdutils==1.0.0
fair-esm==2.0.0
scikit-learn==1.7.1
scikit-learn-extra==0.3.0
deepspeed==0.17.5
pydantic>=2.0.0
triton==3.3.1
optree==0.17.0
protobuf==6.31.1
icecream==2.1.7
ipdb==0.13.13
wandb==0.21.1
numpy==2.4.1
